CID 6450957

121845-71-4

Structural Information

Molecular Formula
C13H16N6
SMILES
CN1CCN(CC1)/C=C/C2=NC3=C(C=CN=C3)N=N2
InChI
InChI=1S/C13H16N6/c1-18-6-8-19(9-7-18)5-3-13-15-12-10-14-4-2-11(12)16-17-13/h2-5,10H,6-9H2,1H3/b5-3+
InChIKey
RKMAHBJNPIMIIF-HWKANZROSA-N
Compound name
3-[(E)-2-(4-methylpiperazin-1-yl)ethenyl]pyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.14365 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15093 165.6
[M+Na]+ 279.13287 173.4
[M-H]- 255.13637 163.9
[M+NH4]+ 274.17747 174.7
[M+K]+ 295.10681 166.9
[M+H-H2O]+ 239.14091 153.1
[M+HCOO]- 301.14185 177.4
[M+CH3COO]- 315.15750 173.9
[M+Na-2H]- 277.11832 172.2
[M]+ 256.14310 161.5
[M]- 256.14420 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.